![CAS 1215204-46-8 (2S)-2-amino-6-{[(prop-2-yn-1-yloxy)carbonyl]amino}hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1215204-46-8.gif)
CAS RN: 1215204-46-8
(2S)-2-amino-6-{[(prop-2-yn-1-yloxy)carbonyl]amino}hexanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251031 | 10mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1215204-46-8
- Purity/Analytical Methods: >99.0%
1215204-46-8 / (2S)-2-amino-6-(prop-2-ynoxycarbonylamino)hexanoic acid
Basic Information
CAS
1215204-46-8
Multi CAS
No
Molecular Formula
C10H16N2O4
Molecular Weight
228.240000
Exact Mass
228.111007
SMILES
C#CCOC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H16N2O4/c1-2-7-16-10(15)12-6-4-3-5-8(11)9(13)14/h1,8H,3-7,11H2,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
KRFMMSZGIQEBIJ-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.65
TPSA
101.65
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.06
XLogP3
-2.5
Consensus LogP
-0.88
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one
- CAS RN: 1215205-35-8
- Product Code: SSC-024044
-
-
-
-
tert-Butyl 7-methoxy-1H-indole-1-carboxylate
- CAS RN: 1215205-77-8
- Product Code: SSC-024049
-
